119445-90-8

• 常用中文名：双(四甲基环戊二烯基)二氯化锆
• 常用英文名：Bis(tetramethylcyclopentadienyl)zirconium dichloride
• CAS号：119445-90-8
• 分子式：C₁₈H₂₆Cl₂Zr
• 分子量：404.52900
• 发布时间：2018-05-27 08:00:00
• 更新时间：2024-01-13 12:57:28

名称

• 中文名: 双(四甲基环戊二烯基)二氯化锆
• 英文名: 1,2,3,5-tetramethylcyclopenta-1,3-diene,zirconium(4+),dichloride
• 英文别名: 1,3-Cyclopentadiene,1,2,3,4-tetramethyl-,zirconium complex

物化性质

• 分子式: C₁₈H₂₆Cl₂Zr
• 分子量: 404.52900
• 精确质量: 402.04600
• LogP: 6.54280
• 储存条件: 2-8°C， 充氩
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:414

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:2

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:5

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Section 1: Product Identification Chemical Name:Bis(tetramethylcyclopentadienyl)zirconium dichloride, min. 97% CAS Registry Number:119445-90-8 Formula:[(CH3)4C5H]2ZrCl2 EINECS Number:none Chemical Family:metallocene Synonym:Zirconium, bis[1,2,3,4,5-.ete.)-1,2,3,4-tetramethyl-2,4-cyclopentadiene-1-yl]dichloro Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound119445-90-8100%5mg/m3 (as Zr)5mg/m3 (as Zr) Section 3: Hazards Identification Emergency Overview:Irritating to skin and eyes. May be irritating to respiratory tract. Primary Routes of Exposure:skin, eyes, ingestion Eye Contact:Causes moderate irritation of the eyes. Skin Contact:Causes moderate irritation of the eyes. Inhalation:May be irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information on the physiological effects of ingestion. Exposure to moisture slowly produces hydrochloric acid. Irritating to skin, eyes. May be irritating to the Acute Health Affects: respiratory tract. Chronic Health Affects:No information available on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in Inhalation: breathing, coughing, wheezing or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:none Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, foam or dry powder If this product is involved in a fire, firefighters should be equipped with NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Small spills can be mixed with calcium carbonate, sodium bicarbonate or other appropriate acid neutralizing Spill and Leak Procedures: non combustible solid and swept up. hr class='msds_hr'/> SECTION 7: Handling and Storage The material will degrade on prolonged exposure to moisture. Keep bottle tightly sealed and away from heat Handling and Storage: and light. Handle in a dry atmosphere. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:off-white powder Molecular Weight:404.53 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:may have an acidic odor Solubility in Water:reacts with water SECTION 10: Stability and Reactivity Stability:moisture-sensitive solid Hazardous Polymerization:No hazardous polymerization. Conditions to Avoid:exposure to moisture Incompatibility:water, strong oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, hydrogen chloride, organic fumes and zirconium oxide SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory. SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S24/25

合成路线

10026-11-6 ~53% 119445-90-8

文献：Hiller, Joerg; Thewalt, Ulf; Polasek, Miroslav; Petrusova, Lidmila; Varga, Vojtech; Sedmera, Petr; Mach, Karel Organometallics, 1996 , vol. 15, # 17 p. 3752 - 3759

10026-11-6 87781-76-8 ~60% 119445-90-8

文献：Courtot, P.; Pichon, R.; Salaun, J. Y.; Toupet, L. Canadian Journal of Chemistry, 1991 , vol. 69, # 4 p. 661 - 672

134939-45-0 10026-11-6 ~57% 119445-90-8

文献：Gomez-Ruiz, Santiago; Prashar, Sanjiv; Fajardo, Mariano; Antinolo, Antonio; Otero, Antonio Journal of Organometallic Chemistry, 2007 , vol. 692, # 14 p. 3057 - 3064